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HEAS Data Platform · Materials Science Database

Gd2TeO2

Elasticity Data ELA

MP-ID: mp-16035 · Space group: I4/mmm (#139)

Basic Information

Formula
Gd2TeO2
MP-ID
mp-16035
Elements
3
Sites
5
Density
7.9380
g/cm³
Volume
99.18
ų
Cell a
3.9672
Å
Cell b
3.9673
Å
Cell c
6.8975
Å
α Angle
106.71
°
β Angle
106.71
°
γ Angle
90.00
°
Space Group
I4/mmm
Point Group
4/mmm
Crystal System
Tetragonal
Bravais Lattice
Tetragonal I
Stability
Yes
Packing Fraction
0.7400

X-ray Diffraction

Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; CuKa ; λ=1.5406 Å
Diffraction Peaks (Top 24)
2θd (Å)Ihkl
14.05 6.3013 2.7 (0,0,1)
23.51 3.7842 1.1 (0,1,0)
23.51 3.7842 1.1 (1,0,-1)
31.00 2.8843 33.3 (0,1,1)
31.00 2.8843 100.0 (1,0,-2)
31.90 2.8053 26.4 (1,-1,0)
31.90 2.8053 26.4 (1,1,-1)
43.06 2.1004 11.4 (0,0,3)
43.18 2.0951 2.1 (1,1,-3)
45.74 1.9836 13.2 (0,2,-1)
45.74 1.9836 13.2 (2,0,-1)
54.58 1.6814 22.4 (1,-1,-3)
54.58 1.6814 7.5 (1,-1,3)
56.29 1.6344 6.2 (1,-2,-1)
56.29 1.6344 24.6 (1,2,0)
56.29 1.6344 18.5 (2,1,-3)
64.63 1.4422 3.5 (0,2,2)
64.63 1.4422 3.5 (0,2,-4)
64.63 1.4422 3.5 (2,0,-4)
64.63 1.4422 3.5 (2,0,2)
66.68 1.4026 8.3 (2,-2,0)
71.44 1.3205 5.6 (0,1,4)
71.44 1.3205 5.6 (0,1,-5)
75.35 1.2614 5.2 (0,3,0)
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Energy Properties

Formation Energy/atom
-3.20344
eV/atom
Energy/atom
-11.44173
eV/atom
Energy above Hull
0.0000
eV/atom
Uncorrected Energy
-28.0323
eV/atom
Volume/atom
19.84
ų
c/a Ratio
1.7386

Electronic Properties

Metallic
Non-metal
Band Gap
1.138
eV
Direct Gap
No
CBM
N/A
eV

Magnetic Properties

Magnetic
Yes
Total Mag. Moment
14.0000
μB
Mag. Ordering
Unknown
Mag. Sites
0
Magnetization/Volume
0.141160
μB/ų

Elastic Properties

KVRH
73.923
GPa
GVRH
35.465
GPa
Young's Modulus E
91.726
GPa
Poisson Ratio ν
0.293
Pugh Ratio K/G
2.084
Vickers Hardness Est.
3.831
GPa
Ductility
Brittle
Anisotropy
1.695
Lame λ
50.280
GPa

Feature Analysis

Composition Overview

Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
Gd · 0.400
Element Family
Lanthanide
Solute Fraction
0.600
Interstitial Fraction
0.000

Elasticity Features

Elastic Modulus Comparison (GPa)
Elastic Features
Elastic Anisotropy AU
1.6950
Homogeneous Poisson ν
0.2930
Debye Temperature
297.4
K
Sound Velocity
2,358.9
m/s
Homogeneity
0.2930

Related Tasks

Citation & References

Materials Project Page
https://materialsproject.org/materials/mp-16035
Reference Citation

The crystal structure and related material properties of Gd2TeO2 were obtained from the Materials Project database (MP-ID: mp-16035, database version v2026.04.13).

Literature Citation

Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0

BibTeX
@article{Horton2025,
  author  = {Horton, Matthew K. and Huck, Patrick and Yang, Ruo Xi and Munro, Jason M. and Dwaraknath, Shyam and Ganose, Alex M. and Kingsbury, Ryan S. and Wen, Mingjian and Shen, Jimmy X. and Mathis, Tyler S. and Kaplan, Aaron D. and Berket, Karlo and Riebesell, Janosh and George, Janine and Rosen, Andrew S. and Spotte-Smith, Evan W. C. and McDermott, Matthew J. and Cohen, Orion A. and Dunn, Alex and Kuner, Matthew C. and Rignanese, Gian-Marco and Petretto, Guido and Waroquiers, David and Griffin, Sinead M. and Neaton, Jeffrey B. and Chrzan, Daryl C. and Asta, Mark and Hautier, Geoffroy and Cholia, Shreyas and Ceder, Gerbrand and Ong, Shyue Ping and Jain, Anubhav and Persson, Kristin A.},
  title   = {Accelerated data-driven materials science with the Materials Project},
  journal = {Nature Materials},
  year    = {2025},
  volume  = {24},
  number  = {10},
  pages   = {1522--1532},
  month   = {oct},
  doi     = {10.1038/s41563-025-02272-0},
  issn    = {1476-4660},
  url     = {https://doi.org/10.1038/s41563-025-02272-0},
  abstract = {The Materials Project was launched formally in 2011 to drive materials discovery forwards through high-throughput computation and open data. More than a decade later, the Materials Project has become an indispensable tool used by more than 600,000 materials researchers around the world. This Perspective describes how the Materials Project, as a data platform and a software ecosystem, has helped to shape research in data-driven materials science. We cover how sustainable software and computational methods have accelerated materials design while becoming more open source and collaborative in nature. Next, we present cases where the Materials Project was used to understand and discover functional materials. We then describe our efforts to meet the needs of an expanding user base, through technical infrastructure updates ranging from data architecture and cloud resources to interactive web applications. Finally, we discuss opportunities to better aid the research community, with the vision that more accessible and easy-to-understand materials data will result in democratized materials knowledge and an increasingly collaborative community.}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# generated using pymatgen
data_Gd2TeO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.96724384
_cell_length_b   3.96724542
_cell_length_c   6.89753697
_cell_angle_alpha   106.71337411
_cell_angle_beta   106.71338204
_cell_angle_gamma   90.00000218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2TeO2
_chemical_formula_sum   'Gd2 Te1 O2'
_cell_volume   99.17649820
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Gd  Gd0  1  0.66095973  0.66095973  0.32192145  1.0
  Gd  Gd1  1  0.33904027  0.33904027  0.67807855  1.0
  Te  Te2  1  -0.00000000  -0.00000000  0.00000000  1.0
  O  O3  1  0.25000000  0.75000000  0.50000000  1.0
  O  O4  1  0.75000000  0.25000000  0.50000000  1.0
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